(1S,2S)-2-amino-1-phenylpropane-1,3-diol

(1S,2S)-2-amino-1-phenylpropane-1,3-diol

CAS: 28143-91-1

Formula: C9H13NO2

SMILES: N[C@@H](CO)[C@@H](O)C1=CC=CC=C1

IUPAC: (1S,2S)-2-amino-1-phenylpropane-1,3-diol

InChI: InChI=1S/C9H13NO2/c10-8(6-11)9(12)7-4-2-1-3-5-7/h1-5,8-9,11-12H,6,10H2/t8-,9-/m0/s1

Composition: C (64.65%), H (7.84%), N (8.38%), O (19.14%)

Molar Mass: 167.208

Atom Count: 25

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	167.094628663
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	JUCGVCVPNPBJIG-IUCAKERBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.46
Topological Polar Surface Area	66.48
Polarizability	18.61
Ring Count	1
Rotatable Bond Count	3

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